4,8-diphenyl-1H-pyridazino[1,2-a]cinnolin-1-ide; ruthenium(2+); dichloride; pentahydrate

Systemtic Name: 4,8-diphenyl-1H-pyridazino[1,2-a]cinnolin-1-ide; ruthenium(2+); dichloride; pentahydrate Openeye Name: 4,8-diphenyl-1H-pyridazino[1,2-a]cinnolin-1-ide; ruthenium(2+); dichloride; pentahydrate CAS Name: 4,8-diphenyl-1H-pyridazino[1,2-a]cinnolin-1-ide; ruthenium(2+); dichloride; pentahydrate IUPAC Name: 4,8-diphenyl-1H-pyridazino[1,2-a]cinnolin-1-ide; ruthenium(2+); dichloride; pentahydrate Traditional Name: 4,8-diphenyl-1H-pyridazino[1,2-a]cinnolin-1-ide; ruthenium(2+); dichloride; pentahydrate Formula: C72H61Cl2N6O5Ru3+ MolecularWeight: 1464.40794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CN4C(=CC=[C-]N4C3=CC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CN4C(=CC=[C-]N4C3=CC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CN4C(=CC=[C-]N4C3=CC=C2)C5=CC=CC=C5.O.O.O.O.O.[Cl-].[Cl-].[Ru+2].[Ru+2].[Ru+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CN4C(=CC=[C-]N4C3=CC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CN4C(=CC=[C-]N4C3=CC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CN4C(=CC=[C-]N4C3=CC=C2)C5=CC=CC=C5.O.O.O.O.O.[Cl-].[Cl-].[Ru+2].[Ru+2].[Ru+2]

InChI

InChI=1S/3C24H17N2.2ClH.5H2O.3Ru/c3*1-3-9-19(10-4-1)21-13-7-14-24-22(21)16-18-26-23(15-8-17-25(24)26)20-11-5-2-6-12-20;;;;;;;;;;/h3*1-16,18H;2*1H;5*1H2;;;/q3*-1;;;;;;;;3*+2/p-2